Vitas-M small molecule compound
2-oxo-2-phenylethyl {[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STK807120
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc2c(c1)OCO2)OCC(=O)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H19N3O5S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O5S/c29-20(17-7-3-1-4-8-17)14-31-23(30)15-34-25-27-26-24(28(25)19-9-5-2-6-10-19)18-11-12-21-22(13-18)33-16-32-21/h1-13H,14-16H2InChIKey
NUTHVBFFBOTZPW-UHFFFAOYSA-NSynonyms
2oxo2phenylethyl((5(13benzodioxol5yl)4phenyl4H124triazol3yl)sulfanyl)acetate
2OXO2PHENYLETHYL2(5(2HBENZO(34D)13DIOXOLAN5YL)4PHENYL124TRIAZOL3YLTHIO)ACETATE
C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)OCC(=O)C5=CC=CC=C5
InChI=1SC25H19N3O5Sc2920(177314817)143123(30)153425272624(28(25)1995261019)1811122122(1318)33163221h113H1416H2
MFCD03621254
PHENACYL2((5(13BENZODIOXOL5YL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000009857897
ZINC09857897
ZINC9857897
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